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5TGS
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BU of 5tgs by Molmil
Crystal Structure of QueE from Bacillus subtilis with methionine bound
Descriptor: 7-carboxy-7-deazaguanine synthase, DI(HYDROXYETHYL)ETHER, IRON/SULFUR CLUSTER, ...
Authors:Grell, T.A.J, Dowling, D.P, Drennan, C.L.
Deposit date:2016-09-28
Release date:2017-01-18
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:7-Carboxy-7-deazaguanine Synthase: A Radical S-Adenosyl-l-methionine Enzyme with Polar Tendencies.
J. Am. Chem. Soc., 139, 2017
5TK6
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BU of 5tk6 by Molmil
Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A diphosphate bound
Descriptor: MAGNESIUM ION, OxsA protein, [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl trihydrogen diphosphate
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.924 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TH5
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BU of 5th5 by Molmil
Crystal Structure of QueE from Bacillus subtilis with 6-carboxypterin-5'-deoxyadenosyl ester bound
Descriptor: 5'-O-(2-amino-4-oxo-1,4-dihydropteridine-6-carbonyl)adenosine, 7-carboxy-7-deazaguanine synthase, IRON/SULFUR CLUSTER, ...
Authors:Grell, T.A.J, Dowling, D.P, Drennan, C.L.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:7-Carboxy-7-deazaguanine Synthase: A Radical S-Adenosyl-l-methionine Enzyme with Polar Tendencies.
J. Am. Chem. Soc., 139, 2017
5TK8
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BU of 5tk8 by Molmil
Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A monophosphate bound
Descriptor: MAGNESIUM ION, OxsA protein, [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methyl dihydrogen phosphate
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TK9
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BU of 5tk9 by Molmil
Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A bound
Descriptor: MAGNESIUM ION, OxsA protein, [(2S,3R,4R)-4-(6-amino-9H-purin-9-yl)oxetane-2,3-diyl]dimethanol
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.843 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TRB
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BU of 5trb by Molmil
Crystal structure of the RNF20 RING domain
Descriptor: E3 ubiquitin-protein ligase BRE1A, ZINC ION
Authors:Foglizzo, M, Middleton, A.J, Day, C.L.
Deposit date:2016-10-25
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Function of the RING Domains of RNF20 and RNF40, Dimeric E3 Ligases that Monoubiquitylate Histone H2B.
J.Mol.Biol., 428, 2016
1TSI
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BU of 1tsi by Molmil
STRUCTURE OF THE COMPLEX BETWEEN TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE AND N-HYDROXY-4-PHOSPHONO-BUTANAMIDE: BINDING AT THE ACTIVE SITE DESPITE AN "OPEN" FLEXIBLE LOOP
Descriptor: N-HYDROXY-4-PHOSPHONO-BUTANAMIDE, TRIOSEPHOSPHATE ISOMERASE
Authors:Verlinde, C.L.M.J.
Deposit date:1992-11-19
Release date:1994-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structure of the complex between trypanosomal triosephosphate isomerase and N-hydroxy-4-phosphono-butanamide: binding at the active site despite an "open" flexible loop conformation.
Protein Sci., 1, 1992
5TU7
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BU of 5tu7 by Molmil
Crystal structure of Staphylococcus epidermidis Aap G511-spacer-G513 (consensus G5-spacer-consensus G5)
Descriptor: Accumulation-associated protein Aap G511-spacer-G513 (consensus G5-spacer-consensus G5)
Authors:Shelton, C.L, Conrady, D.G, Herr, A.B.
Deposit date:2016-11-05
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Functional consequences of B-repeat sequence variation in the staphylococcal biofilm protein Aap: deciphering the assembly code.
Biochem. J., 474, 2017
5TU9
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BU of 5tu9 by Molmil
Crystal structure of Staphylococcus epidermidis Aap G58-spacer-G513 (variant G5-spacer-consensus G5)
Descriptor: Accumulation associated protein Aap G58-spacer-G513 (variant G5-spacer-consensus G5)
Authors:Shelton, C.L, Conrady, D.G, Herr, A.B.
Deposit date:2016-11-05
Release date:2016-12-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Functional consequences of B-repeat sequence variation in the staphylococcal biofilm protein Aap: deciphering the assembly code.
Biochem. J., 474, 2017
5UFX
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BU of 5ufx by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1074
Descriptor: (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor
Authors:Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J.
Deposit date:2017-01-06
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5503 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
5UFW
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BU of 5ufw by Molmil
Estrogen Receptor Alpha Ligand Binding Domain in Complex with OP1154
Descriptor: (2S)-3-(4-hydroxyphenyl)-4-methyl-2-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-2H-1-benzopyran-7-ol, Estrogen receptor
Authors:Fanning, S.W, Hodges-Gallagher, L, Myles, D.C, Sun, R, Fowler, C.E, Green, B.D, Harmon, C.L, Greene, G.L, Kushner, P.J.
Deposit date:2017-01-06
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Specific stereochemistry of OP-1074 disrupts estrogen receptor alpha helix 12 and confers pure antiestrogenic activity.
Nat Commun, 9, 2018
5UL2
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BU of 5ul2 by Molmil
Structure of Apo, SeMet-labeled Cobalamin-dependent S-adenosylmethionine radical enzyme OxsB
Descriptor: 1,2-ETHANEDIOL, OxsB protein
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2017-01-24
Release date:2017-04-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.552 Å)
Cite:A B12-dependent radical SAM enzyme involved in oxetanocin A biosynthesis.
Nature, 544, 2017
5ULH
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BU of 5ulh by Molmil
Structure of RNF165 in complex with a UbcH5b~Ub conjugate
Descriptor: E3 ubiquitin-protein ligase RNF165, GLYCEROL, THIOCYANATE ION, ...
Authors:Middleton, A.J, Day, C.L, Wright, J.D.
Deposit date:2017-01-24
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of new non-covalent ubiquitin binding sites on UbcH5
To be published
5UL3
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BU of 5ul3 by Molmil
Structure of Cobalamin-dependent S-adenosylmethionine radical enzyme OxsB with aqua-cobalamin bound
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2017-01-24
Release date:2017-04-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A B12-dependent radical SAM enzyme involved in oxetanocin A biosynthesis.
Nature, 544, 2017
5V3T
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BU of 5v3t by Molmil
Crystal Structure of the Group II Truncated Hemoglobin from Bacillus Anthracis
Descriptor: CYANIDE ION, Globin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Varnado, C.L, SoRelle, E, Soman, J, Olson, J.S.
Deposit date:2017-03-08
Release date:2017-04-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Crystal Structure of the Group II Truncated Hemoglobin from Bacillus Anthracis
To Be Published
5V3V
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BU of 5v3v by Molmil
Crystal Structure of the Group II Truncated Hemoglobin from Bacillus Anthracis: Tyr26Ala Mutant
Descriptor: CYANIDE ION, Globin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Varnado, C.L, SoRelle, E, Soman, J, Olson, J.S.
Deposit date:2017-03-08
Release date:2017-04-12
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal Structure of the Group II Truncated Hemoglobin from Bacillus Anthracis
To Be Published
5UL4
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BU of 5ul4 by Molmil
Structure of Cobalamin-dependent S-adenosylmethionine radical enzyme OxsB with aqua-cobalamin and S-adenosylmethionine bound
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, COBALAMIN, ...
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2017-01-24
Release date:2017-04-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A B12-dependent radical SAM enzyme involved in oxetanocin A biosynthesis.
Nature, 544, 2017
5ULK
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BU of 5ulk by Molmil
Crystal Structure of RNF165 in complex with a UbcH5b~Ub conjugate
Descriptor: E3 ubiquitin-protein ligase RNF165, Ubiquitin, Ubiquitin-conjugating enzyme E2 D2, ...
Authors:Middleton, A.J, Day, C.L, Wright, J.D.
Deposit date:2017-01-24
Release date:2017-06-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of new non-covalent ubiquitin binding sites on UbcH5
To be published
5T81
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BU of 5t81 by Molmil
Rhombohedral crystal form of the EpoB NRPS cyclization-docking bidomain from Sorangium cellulosum
Descriptor: EpoB, GLYCEROL
Authors:Dowling, D.P, Kung, Y, Croft, A.K, Taghizadeh, K, Kelly, W.L, Walsh, C.T, Drennan, C.L.
Deposit date:2016-09-06
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.604 Å)
Cite:Structural elements of an NRPS cyclization domain and its intermodule docking domain.
Proc.Natl.Acad.Sci.USA, 113, 2016
5T8Y
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BU of 5t8y by Molmil
Structure of epoxyqueuosine reductase from Bacillus subtilis with the Asp134 catalytic loop swung out of the active site.
Descriptor: COBALAMIN, Epoxyqueuosine reductase, IRON/SULFUR CLUSTER, ...
Authors:Dowling, D.P, Miles, Z.D, Kohrer, C, Maiocco, S.J, Elliott, S.J, Bandarian, V, Drennan, C.L.
Deposit date:2016-09-08
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:Molecular basis of cobalamin-dependent RNA modification.
Nucleic Acids Res., 44, 2016
5TK7
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BU of 5tk7 by Molmil
Structure of the HD-domain phosphohydrolase OxsA with Oxetanocin-A triphosphate bound
Descriptor: MAGNESIUM ION, OxsA protein, [[(2~{S},3~{R},4~{R})-4-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxetan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-16
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.904 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5TKA
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BU of 5tka by Molmil
Structure of the HD-domain phosphohydrolase OxsA
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, OxsA protein
Authors:Bridwell-Rabb, J, Drennan, C.L.
Deposit date:2016-10-06
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.048 Å)
Cite:An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5UIC
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BU of 5uic by Molmil
Structure of the Francisella response regulator receiver domain, QseB
Descriptor: Two-component response regulator
Authors:Allen, C.L, Milton, M.E, Cavanagh, J.
Deposit date:2017-01-13
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.487 Å)
Cite:Structure of the Francisella response regulator QseB receiver domain, and characterization of QseB inhibition by antibiofilm 2-aminoimidazole-based compounds.
Mol. Microbiol., 106, 2017
5T5X
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BU of 5t5x by Molmil
High resolution structure of mouse Cryptochrome 1
Descriptor: CHLORIDE ION, Cryptochrome-1
Authors:Michael, A.K, Tripathi, S, Partch, C.L.
Deposit date:2016-08-31
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Formation of a repressive complex in the mammalian circadian clock is mediated by the secondary pocket of CRY1.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5T78
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BU of 5t78 by Molmil
Crystal structure of therapeutic mAB AR20.5 in complex with MUC1 peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-galactopyranose, Fab Fragment - AR20.5 - Heavy chain, Fab fragment AR20.5 - Light Chain, ...
Authors:Brooks, C.L, Movahedin, M.
Deposit date:2016-09-02
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Glycosylation of MUC1 influences the binding of a therapeutic antibody by altering the conformational equilibrium of the antigen.
Glycobiology, 27, 2017

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